Pitavastatin
C25H24FNO4
147511-69-1 Copyright (C) 2024 ACS
 31 34  0  0  1  0  0  0  0  0999 V2000
    6.6686    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    6.1601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6697    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    6.1601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3370    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0034    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    6.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    9.2401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4386   10.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2086    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <cas.rn>
147511-69-1

> <cas.index.name>
6-Heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, (3R,5S,6E)-

> <molecular.formula>
C25H24FNO4

> <molecular.weight>
421.46

> <boiling.point.predicted>
691.961±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.352±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.242±0.10    Most Acidic Temp: 25 °C

$$$$
